Metabolomics Structure Database

 
MW REGNO: 37048
Common Name:beta-cellobiose
Systematic Name:beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Synonyms:(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol [PubChem Synonyms]
Exact Mass:
342.1162 (neutral)    Calculate m/z:
Formula:C12H22O11
InChIKey:GUBGYTABKSRVRQ-QRZGKKJRSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:O-glycosyl compounds [C0002207]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:10712
CHEBI ID:36217
HMDB ID:HMDB0000055
KEGG ID:C06422
Chemspider ID:10261
METLIN ID:3480
MetaCyc ID:CELLOBIOSE

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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